==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-07 2JI3 . COMPND 2 MOLECULE: DESULFOFERRODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO BAARSII; . AUTHOR G.KATONA,P.CARPENTIER,V.NIVIERE,P.AMARA,V.ADAM,J.OHANA, . 502 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 43.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 62 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 8 5 1 7 16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 120 0, 0.0 23,-0.2 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 112.9 30.5 22.9 33.5 2 2 A P - 0 0 5 0, 0.0 21,-1.4 0, 0.0 2,-0.3 -0.228 360.0-164.0 -62.3 142.7 26.9 23.4 34.7 3 3 A E > - 0 0 131 19,-0.2 3,-2.1 18,-0.1 16,-0.3 -0.956 37.1 -81.0-129.0 147.9 25.7 22.2 38.1 4 4 A R T 3 S+ 0 0 78 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.132 114.4 20.4 -48.4 138.3 22.2 21.7 39.4 5 5 A L T 3 S+ 0 0 52 14,-2.9 -1,-0.2 1,-0.3 15,-0.1 0.155 88.6 130.6 86.0 -14.9 20.5 25.0 40.5 6 6 A Q < - 0 0 40 -3,-2.1 13,-2.7 12,-0.1 2,-0.5 -0.360 49.4-140.9 -67.8 150.5 22.9 27.3 38.6 7 7 A V E -A 18 0A 1 30,-0.2 30,-3.2 11,-0.2 2,-0.4 -0.969 17.4-169.8-116.9 127.9 21.2 30.0 36.5 8 8 A Y E -AB 17 36A 12 9,-2.6 9,-2.6 -2,-0.5 2,-0.4 -0.935 1.7-164.2-120.7 144.2 22.6 31.0 33.1 9 9 A K E -AB 16 35A 51 26,-2.3 26,-3.2 -2,-0.4 2,-0.7 -0.964 19.4-139.3-129.5 141.4 21.7 33.9 30.8 10 10 A C > - 0 0 0 5,-2.6 4,-1.6 -2,-0.4 24,-0.1 -0.879 14.7-159.0 -93.6 115.9 22.3 34.7 27.2 11 11 A E T 4 S+ 0 0 117 -2,-0.7 -1,-0.1 2,-0.2 23,-0.1 0.600 86.0 54.9 -73.9 -9.2 23.2 38.4 27.2 12 12 A V T 4 S+ 0 0 90 17,-0.1 -1,-0.1 20,-0.1 18,-0.1 0.952 125.4 11.5 -85.7 -66.2 22.3 38.6 23.5 13 13 A C T 4 S- 0 0 28 2,-0.1 137,-0.4 136,-0.0 -2,-0.2 0.556 99.2-118.1 -92.0 -10.5 18.7 37.3 23.2 14 14 A G < + 0 0 17 -4,-1.6 -3,-0.1 1,-0.2 2,-0.1 0.575 52.5 159.5 88.9 5.9 17.9 37.2 26.9 15 15 A N - 0 0 0 -5,-0.1 -5,-2.6 -6,-0.1 2,-0.4 -0.405 18.2-169.6 -61.5 139.2 17.3 33.5 27.4 16 16 A I E +AC 9 147A 3 131,-2.2 130,-3.0 -7,-0.2 131,-2.1 -0.996 8.0 175.1-134.0 128.2 17.6 32.5 31.0 17 17 A V E -AC 8 145A 0 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.4 -0.916 21.4-142.4-131.4 157.0 17.7 28.9 32.1 18 18 A E E -AC 7 144A 6 126,-2.7 126,-2.4 -2,-0.3 2,-0.4 -0.952 29.6-112.6-118.6 141.9 18.3 27.0 35.4 19 19 A V E + C 0 143A 0 -13,-2.7 -14,-2.9 -2,-0.4 124,-0.2 -0.602 35.5 168.6 -80.2 127.8 20.2 23.7 35.5 20 20 A L E S+ 0 0 5 122,-2.8 2,-0.4 -2,-0.4 123,-0.2 0.755 78.4 20.6-100.5 -39.1 18.3 20.6 36.4 21 21 A N E S- C 0 142A 41 121,-2.1 121,-2.3 -18,-0.1 -1,-0.4 -0.992 80.8-142.0-135.1 124.7 21.0 18.1 35.5 22 22 A G + 0 0 26 -2,-0.4 2,-0.3 119,-0.2 -19,-0.2 -0.097 27.5 152.5 -78.2-179.4 24.7 19.1 35.3 23 23 A G - 0 0 19 -21,-1.4 117,-0.1 2,-0.1 116,-0.0 -0.979 50.4 -83.4 176.1-175.6 27.4 17.9 32.9 24 24 A I S S+ 0 0 122 115,-0.4 -1,-0.1 -2,-0.3 116,-0.1 0.882 88.2 87.8 -82.2 -44.8 30.6 18.7 31.0 25 25 A G S S- 0 0 11 -24,-0.1 2,-0.3 1,-0.1 -2,-0.1 -0.218 77.3-118.5 -60.2 146.7 29.6 20.7 28.0 26 26 A E - 0 0 77 -25,-0.1 130,-0.5 1,-0.1 2,-0.3 -0.677 25.9-114.6 -89.0 141.5 29.3 24.5 28.3 27 27 A L - 0 0 5 -2,-0.3 7,-2.5 7,-0.1 2,-0.3 -0.565 39.5-177.3 -75.5 130.6 26.0 26.2 27.7 28 28 A V E +FG 33 154B 36 126,-3.0 126,-3.0 -2,-0.3 2,-0.3 -0.933 12.3 170.7-130.8 152.3 26.0 28.4 24.6 29 29 A C E > +F 32 0B 0 3,-2.4 3,-1.8 -2,-0.3 -17,-0.1 -0.957 68.4 7.2-159.8 142.4 23.4 30.7 23.0 30 30 A C T 3 S- 0 0 43 122,-0.5 3,-0.1 -2,-0.3 123,-0.1 0.874 129.3 -59.4 50.2 41.4 23.6 33.3 20.2 31 31 A N T 3 S+ 0 0 169 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.615 119.5 88.3 66.4 16.2 27.2 32.2 19.4 32 32 A Q E < S-F 29 0B 76 -3,-1.8 -3,-2.4 3,-0.0 -1,-0.1 -0.978 86.0 -88.1-142.9 156.1 28.5 33.0 22.9 33 33 A D E -F 28 0B 109 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.354 47.1-116.0 -60.1 134.4 28.9 31.4 26.3 34 34 A M - 0 0 11 -7,-2.5 2,-0.4 -24,-0.1 -24,-0.2 -0.534 34.5-114.4 -71.9 142.8 25.9 31.8 28.5 35 35 A K E -B 9 0A 92 -26,-3.2 -26,-2.3 -2,-0.2 2,-0.5 -0.672 17.1-128.9 -85.3 126.9 26.7 33.9 31.6 36 36 A L E -B 8 0A 62 -2,-0.4 2,-1.5 -28,-0.2 -28,-0.2 -0.599 19.5-141.2 -72.0 121.9 26.6 32.2 35.0 37 37 A M - 0 0 16 -30,-3.2 -30,-0.2 -2,-0.5 2,-0.1 -0.652 21.5-162.3 -91.0 85.3 24.4 34.6 37.1 38 38 A S > - 0 0 52 -2,-1.5 3,-0.7 1,-0.1 83,-0.3 -0.429 23.1-105.5 -68.7 138.4 26.3 34.3 40.4 39 39 A E T 3 S+ 0 0 53 1,-0.2 83,-0.3 -2,-0.1 -1,-0.1 -0.395 89.9 1.5 -72.1 139.7 24.4 35.5 43.5 40 40 A N T 3 S+ 0 0 69 81,-2.2 -1,-0.2 -2,-0.1 82,-0.1 0.862 94.6 110.4 55.9 46.2 25.0 38.8 45.2 41 41 A T < + 0 0 97 -3,-0.7 2,-0.2 80,-0.5 -2,-0.1 0.546 46.9 97.7-119.5 -17.2 27.8 40.0 42.9 42 42 A V S S- 0 0 48 79,-0.4 2,-1.6 -4,-0.2 77,-0.1 -0.523 80.4-116.4 -78.6 141.5 26.1 42.9 41.1 43 43 A D + 0 0 161 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.597 69.8 117.0 -79.2 87.3 26.7 46.4 42.3 44 44 A A S S- 0 0 16 -2,-1.6 2,-0.6 75,-0.1 5,-0.1 -0.924 75.7 -63.7-146.9 169.9 23.2 47.4 43.4 45 45 A A >> - 0 0 32 -2,-0.3 3,-1.7 1,-0.2 4,-0.9 -0.425 39.6-160.3 -61.8 105.7 21.2 48.4 46.5 46 46 A K H >> S+ 0 0 116 -2,-0.6 4,-2.3 1,-0.3 3,-0.5 0.824 88.6 62.1 -57.1 -34.3 21.3 45.4 48.8 47 47 A E H 34 S+ 0 0 92 1,-0.2 20,-2.8 2,-0.2 -1,-0.3 0.674 109.1 42.4 -68.2 -16.3 18.3 46.6 50.7 48 48 A K H <4 S+ 0 0 83 -3,-1.7 -1,-0.2 17,-0.2 -2,-0.2 0.575 125.4 30.1-104.1 -12.5 16.3 46.4 47.5 49 49 A H H << S+ 0 0 5 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.2 0.738 88.5 90.8-118.0 -36.1 17.6 43.0 46.2 50 50 A V S < S- 0 0 41 -4,-2.3 15,-0.6 -5,-0.2 16,-0.3 -0.511 80.4-118.3 -67.4 125.8 18.7 40.7 49.0 51 51 A P E -I 64 0C 3 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.370 18.8-145.2 -65.6 143.2 15.6 38.5 49.9 52 52 A V E -I 63 0C 53 11,-3.0 11,-2.3 13,-0.1 2,-0.5 -0.957 14.1-147.8-109.7 124.6 14.3 38.8 53.5 53 53 A I E -I 62 0C 35 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.827 13.8-173.4 -99.1 130.0 13.0 35.5 54.9 54 54 A E E -I 61 0C 87 7,-2.8 7,-3.1 -2,-0.5 2,-0.2 -0.975 20.3-134.2-125.1 118.7 10.1 35.5 57.4 55 55 A K E +I 60 0C 107 -2,-0.5 5,-0.3 5,-0.2 2,-0.2 -0.513 32.7 174.2 -72.1 134.5 8.9 32.3 59.1 56 56 A I E > -I 59 0C 45 3,-2.3 3,-1.7 -2,-0.2 2,-0.6 -0.757 45.6 -60.4-130.6 178.3 5.2 31.9 59.0 57 57 A D T 3 S- 0 0 145 1,-0.3 3,-0.1 -2,-0.2 354,-0.0 -0.491 123.0 -6.6 -66.2 108.9 2.7 29.2 60.1 58 58 A G T 3 S- 0 0 23 -2,-0.6 47,-1.1 1,-0.2 2,-0.3 0.658 136.1 -2.0 81.8 16.9 3.6 26.2 57.9 59 59 A G E < S-IJ 56 104C 0 -3,-1.7 -3,-2.3 45,-0.3 2,-0.3 -0.939 82.9 -66.6 171.4-147.4 6.2 27.8 55.8 60 60 A Y E -IJ 55 103C 8 43,-2.6 43,-3.1 -2,-0.3 2,-0.5 -0.985 20.2-146.1-143.6 151.0 8.0 31.0 54.9 61 61 A K E -IJ 54 102C 61 -7,-3.1 -7,-2.8 -2,-0.3 2,-0.4 -0.975 21.1-164.3-116.8 130.1 7.2 34.4 53.4 62 62 A V E -IJ 53 101C 0 39,-2.9 39,-1.9 -2,-0.5 2,-0.4 -0.962 7.3-177.3-119.8 130.4 10.0 35.9 51.3 63 63 A K E -IJ 52 100C 64 -11,-2.3 -11,-3.0 -2,-0.4 2,-0.5 -0.963 28.7-109.4-130.8 151.3 10.2 39.5 50.2 64 64 A V E >S-I 51 0C 1 35,-2.5 5,-2.5 -2,-0.4 2,-0.1 -0.916 82.5 -21.5-120.5 102.9 12.6 41.5 48.0 65 65 A G T 5 - 0 0 1 -15,-0.6 -17,-0.2 -2,-0.5 -18,-0.1 0.501 65.9 -98.7-121.4-139.1 14.1 43.2 49.8 66 66 A A T 5S+ 0 0 69 -16,-0.3 2,-0.5 -20,-0.3 -18,-0.2 0.865 124.4 46.5 -59.7 -31.5 13.9 44.9 53.2 67 67 A V T 5S- 0 0 75 -20,-2.8 -1,-0.1 -4,-0.1 0, 0.0 -0.957 115.3-101.1-108.3 126.0 12.8 47.9 51.1 68 68 A A T 5 - 0 0 73 -2,-0.5 -3,-0.3 1,-0.1 -2,-0.1 -0.207 38.8-132.0 -49.0 122.4 10.2 46.9 48.6 69 69 A H < - 0 0 5 -5,-2.5 8,-0.1 30,-0.2 -5,-0.1 -0.454 30.8 -92.8 -76.7 149.6 11.9 46.5 45.2 70 70 A P - 0 0 40 0, 0.0 7,-0.4 0, 0.0 -1,-0.1 -0.270 28.9-162.5 -61.4 150.2 10.3 48.2 42.2 71 71 A M + 0 0 17 5,-0.2 25,-2.1 -3,-0.1 5,-0.3 -0.482 37.2 141.7-131.4 60.1 7.9 46.2 40.1 72 72 A E - 0 0 130 3,-2.7 3,-0.4 23,-0.2 0, 0.0 -0.482 65.4-104.5 -95.9 169.8 7.8 48.3 36.9 73 73 A E S S+ 0 0 154 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.872 122.6 35.3 -63.6 -37.3 7.7 47.0 33.3 74 74 A K S S+ 0 0 185 1,-0.3 -1,-0.2 43,-0.0 2,-0.2 0.485 129.3 32.9 -96.1 -1.9 11.3 47.9 32.7 75 75 A H S S+ 0 0 47 -3,-0.4 -3,-2.7 42,-0.1 2,-0.3 -0.727 79.5 122.8-156.4 99.2 12.5 47.0 36.2 76 76 A Y - 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